Search Results - "Mohyuddin, Ayesha"
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SAR, Molecular Docking and Molecular Dynamic Simulation of Natural Inhibitors against SARS-CoV-2 Mpro Spike Protein
Published in Molecules (Basel, Switzerland) (01-03-2024)“…The SARS-CoV-2 virus and its mutations have affected human health globally and created significant danger for the health of people all around the world. To…”
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Structural and Electronic (Absorption and Fluorescence) Properties of a Stable Triplet Diphenylcarbene: A DFT Study
Published in Journal of fluorescence (01-09-2022)“…A triplet diphenylcarbene, bis[3-bromo-5-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methylidene (B3B), with exceptional stability was discovered by chemists from…”
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3
Novel pull–push organic switches with D–π–A structural designs: computational design of star shape organic materials
Published in Structural chemistry (01-04-2023)“…The structural alteration with π-linkers was used to design a donor–acceptor type series of 2,2′-(pyrimidine-4,6-diyl)bis(2,3-dihydro-1,3-benzothiazole) ( PB…”
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4
DFT-guided structural modeling of end-group acceptors at Y123 core for sensitizers as high-performance organic solar dyes and NLO responses
Published in Journal of molecular modeling (01-08-2023)“…Context The organic solar cells (OSCs) are being developed with the goal of improving their photovoltaic capabilities. Here, utilizing computational methods,…”
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Realizing the effect of s-block metals on a charge transfer crystal of indol-2-one for enhanced NLO responses with efficient energetic offsets
Published in Journal of molecular modeling (01-05-2024)“…Context Due to their unique photophysical properties, organic charge transfer crystals are becoming promising materials for next-generation optoelectronic…”
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Creating intense and refined NLO responses by utilizing dual donor structural designs in A-π-D-π-D-π-A type organic switches: computed device parameters
Published in Structural chemistry (01-12-2023)“…New organic dyes ( H1-H6 ) for their promising applications as dye sensitized solar cell (DSSCs) were theoretically designed from…”
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7
Solvent-assisted investigation of NLO responses of 3,5-dihydroxybenzoic acid and pyrazine-2-carboxamide cocrystal
Published in Structural chemistry (2024)“…In recent years, there has been a growing interest in cocrystals as potential materials for nonlinear optical (NLO) applications due to their enhanced optical…”
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Novel pull–push solar switches with a D-π-D-π-A framework of the thiophene core: computed absorbance/fluorescence ability with device parameters
Published in Structural chemistry (01-02-2024)“…The new design of 6,6′-di(thiophen-2-yl)-4,4′-bipyrimidine ( DTB )-based organic dyes ( TCIT1 - TCIT6 ) for dye-sensitized solar cell (DSSC) application was…”
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Heavy Metal Removal from Aqueous Solutions Using Biomaterials and/or Functional Composites: Recent Advances and the Way Forward in Wastewater Treatment Using Digitalization
Published in Journal of composites science (01-02-2023)“…Due to its low cost, over the past decades, biosorption technology has been extensively carried out to treat heavy metal-laden wastewater using biosorbents…”
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Synthesis and Application of an Eco-Friendly Cellulose Diacrylate-Carbon Nanocomposite: A Highly Effective Inhibitor for Clay Swelling in Water-Based Drilling Fluids
Published in Arabian journal for science and engineering (2011) (2024)“…The wellbore vulnerability while drilling triggered by the swelling of the shale formations could lead to significant non-productive time and high costs to…”
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11
Chromium Removal from Aqueous Solution Using Natural Clinoptilolite
Published in Water (Basel) (25-04-2023)“…This work investigates the applicability of clinoptilolite, a natural zeolite, as a low-cost adsorbent for removing chromium from aqueous solutions using fixed…”
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Fixed-Bed Studies of Landfill Leachate Treatment Using Chitosan-Coated Carbon Composite
Published in Water (Basel) (01-06-2023)“…The feasibility of a chitosan-coated coconut-shell (CS) carbon composite for landfill leachate treatment in a fixed-bed study was investigated in terms of COD…”
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Recycling of buffing dust tanneries waste to prepare structural thermal insulation panels
Published in Materials research express (01-12-2021)“…Abstract Thermal insulation panels were prepared by mixing the buffing dust obtained from tanneries waste with the polystyrene. The ratio in weight percentage…”
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14
Technological solutions for air pollution control to mitigate climate change: an approach to facilitate global transition toward blue sky and net-zero emission
Published in Chemical papers (01-08-2024)“…The convergence of air pollution control and climate change mitigation is critical in the pursuit of sustainable development. Therefore, technological…”
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15
Inorganic membrane: a game changer for gas separation and purification
Published in Chemical papers (01-08-2024)“…This review explores the advancements and remaining challenges in inorganic membrane science, particularly focusing on their potential for industrial…”
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Excellent antimicrobial performances of Cu(II) metal organic framework@Fe3O4 fused cubic particles
Published in Journal of Saudi Chemical Society (01-11-2023)“…Metal-organic frameworks have been used as antibacterial agents because of their effective antibacterial properties. In this research, nanocomposites of copper…”
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Effective fabrication of zinc-oxide (ZnO) nanoparticles using Achyranthes aspera leaf extract and their potent biological activities against the bacterial poultry pathogens
Published in Materials research express (01-03-2021)“…Abstract Nanotechnology is one of the most significant area of research worldwide because of its tremendous applications linked to the high surface area to…”
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18
Digitalization for sustainable wastewater treatment: a way forward for promoting the UN SDG#6 ‘clean water and sanitation’ towards carbon neutrality goals
Published in Discover water (18-09-2024)“…This paper investigates the role of digitalization in enhancing wastewater treatment processes, emphasizing its potential to optimize resource utilization,…”
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Biosynthesis of Silver Nanoparticles Using Kitchen Vegetable Waste Extract for Application against Poultry Pathogens, Antimicrobial Activity, and Photocatalytic Dye Degradation
Published in Journal of chemistry (29-04-2023)“…Bacteria develop resistance against antimicrobial drugs, and new remediations are constantly being introduced in the market. Silver and its compounds have…”
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Fabrication of Guided Tissue Regeneration Membrane Using Lignin-Mediated ZnO Nanoparticles in Biopolymer Matrix for Antimicrobial Activity
Published in Frontiers in chemistry (19-04-2022)“…Periodontal disease is a common complication, and conventional periodontal surgery can lead to severe bleeding. Different membranes have been used for…”
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